SCHEMBL1277387

SCHEMBL1277387

COc1cc(-c2ccccc2/C=C(\C)C(=O)NC(=N)N)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
BRAF P15056 1/20 0.38
PGR P06401 1/20 0.38
AR P10275 1/20 0.38
BACE1 P56817 1/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
GCGR P47871 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CHEK1 O14757 2/20 0.37
CHEK2 O96017 1/20 0.37
MAOA P21397 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1277267 0.90 FYN (0.42) FYNBRAFMAPTCHEK1CHEK2
SCHEMBL1277281 0.89 APP (0.43) BACE1KDM4EAPP
SCHEMBL1277372 0.88 FYN (0.40) FYNBRAFMAPTPOLBCHEK1
SCHEMBL1277774 0.86 F10 (0.37) BACE1APP
SCHEMBL1277373 0.85 F10 (0.39) KDM4EAPP
SCHEMBL1277466 0.83 FGFR1 (0.41) GAABACE1MAPTPOLBKDM4E
SCHEMBL1277699 0.82 F10 (0.37) MAPTAPP
SCHEMBL1277277 0.82 BACE1 (0.40) BACE1
SCHEMBL1277389 0.81 BAZ2B (0.38) BACE1
SCHEMBL1277133 0.81 F10 (0.37) BACE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 FYN 3758/4885KMT2A 2071/4885L3MBTL1 3314/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 FYN 3758/4885KMT2A 2071/4885L3MBTL1 3314/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.